Basic information
- Standard SMILES
CCc1[nH]c2ncnc(Cl)c2c1C- InChIKey
RNGJJJMMQOYTQX-UHFFFAOYSA-N- Molecular formula
- C9H10ClN3
- Average molar mass
- 195.65 g/mol
- Monoisotopic mass
- 195.056325
Names & identifiers
- Preferred name
- 4-Chloro-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
- IUPAC
- 4-chloro-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
Names & synonyms
4-Chloro-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidine1584150-96-8SCHEMBL15618251RNGJJJMMQOYTQX-UHFFFAOYSA-NDB-412585
Database identifiers
- PubChem CID
- 90079428
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 188
Related reactions
3 records
Compound notes
Loading…